2-Butyne (CED0010909)

Record Information

Version

1.0

Creation Date

2026-04-03 08:07:04 UTC

Update Date

2026-08-22 17:41:42 UTC

Accession Number

CHEM062893

Identification

Common Name

2-Butyne

Class

Small Molecule

Description

2-Butyne is an organic compound with the chemical formula C4H6 and an average molecular weight of 54.09 g/mol. 2-Butyne belongs to the acetylenes, a subclass of unsaturated hydrocarbons within the organic compounds. This substance is found in or released from 30 recorded sources across several categories. Within electrical and electronic equipment, it is associated with amplifiers, antennas, coils, communication cables or conductors, adjustable resistors, and 16 additional sources. In the realm of household cleaning and consumer products, 2-Butyne is linked to soap detergents, bleaching agents, perfumes within detergents and soaps, cigar cigarettes, and tobacco smoke filters. Additionally, the compound is present in food, food processing, and cookware, specifically in processing meats, food preservation, and fermentation processes for beer. It is also found in building and construction materials, such as tents or canopies.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
But-4-yne	MeSH
Dimethylacetylene	MeSH
4-Butyne	MeSH

Chemical Formula

C₄H₆

Average Molecular Mass

54.092 g/mol

Monoisotopic Mass

54.047 g/mol

CAS Registry Number

503-17-3

IUPAC Name

but-2-yne

Traditional Name

2-butyne

SMILES

CC#CC

InChI Identifier

InChI=1S/C4H6/c1-3-4-2/h1-2H3

InChI Key

XNMQEEKYCVKGBD-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terminal alkynes. These are alkynes featuring a carbon substituent on one acetylenic carbon, and a hydrogen on the other carbon.

Kingdom

Organic compounds

Super Class

Hydrocarbons

Class

Unsaturated hydrocarbons

Sub Class

Acetylenes

Direct Parent

Terminal alkynes

Alternative Parents

Unsaturated aliphatic hydrocarbons

Substituents

Monosubstituted alkyne
Unsaturated aliphatic hydrocarbon
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	1.6 g/L	ALOGPS
logP	1.7	ALOGPS
logP	1.83	ChemAxon
logS	-1.5	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	19.57 m³·mol⁻¹	ChemAxon
Polarizability	7.09 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
233.0	Log mg/kg	[130:410]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
10	Insecticides	Agriculture & land management	Not Available
233	Brushes	Personal care & cosmetics	Not Available
503	Tents Or Canopies	Building & Construction	Not Available
504	Adjustable Resistors	Electrical & Electronic Equipment	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
508	Coils	Electrical & Electronic Equipment	Not Available
510	Communication Cables Or Conductors	Electrical & Electronic Equipment	Not Available
511	Conductors Or Conductive Bodies Characterised By The Conductive Materials	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
518	Electrically Stimulated Smoking Devices	Electrical & Electronic Equipment	Not Available
519	Electrodes	Electrical & Electronic Equipment	Not Available
520	Emergency Protective Devices	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
524	Hybrid Capacitors	Electrical & Electronic Equipment	Not Available
525	Line Transmission Systems	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
533	Sparking Plugs	Electrical & Electronic Equipment	Not Available
535	Superconducting Magnets And Superconducting Coils	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
544	Fermentation Processes For Beer	Food, food processing & cookware	Not Available
545	Food Preservation	Food, food processing & cookware	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
561	Perfumes Within Detergents And Soaps	Household cleaning & consumer products	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
569	Tobacco Smoke Filters	Household cleaning & consumer products	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
580	Manufacture Preparation Of Tobacco Products	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
592	Marine Propulsion Or Steering	Marine, shipping & aquaculture	Not Available
596	Acaricides	Agriculture & land management	Not Available
598	Fertiliser Distributors	Agriculture & land management	Not Available
600	Herbicides And Algicides	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
603	Nematocides	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
606	Plant Growth Regulators	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available
611	Anti Perspirants Or Body Deoderants	Personal care & cosmetics	Not Available
614	Essential Oils Or Perfumes	Personal care & cosmetics	Not Available
615	Eye Makeup Products	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
618	Lip Makeup Products	Personal care & cosmetics	Not Available
625	Racing Sports	Recreation & sports surfaces	Not Available
630	Toys	Recreation & sports surfaces	Not Available
632	Apparel	Textiles, leather & furnishings	Not Available
633	Azo Dyes	Textiles, leather & furnishings	Not Available
634	Buckles	Textiles, leather & furnishings	Not Available
640	Embroidering And Tufting	Textiles, leather & furnishings	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
647	Multicolour Dyeing	Textiles, leather & furnishings	Not Available
648	Nitro Dyes	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
658	Touch Fasteners	Textiles, leather & furnishings	Not Available
659	Transfer Printing	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	7782.43
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	7780.8
Click to view 3D structure	Disintegrin and metalloproteinase domain-containing protein 17	P78536	Humans	Predicted (SEA)	7776.2
Click to view 3D structure	Neutrophil collagenase	P22894	Humans	Predicted (SEA)	7778.62
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	7782.98
Click to view 3D structure	Matrilysin	P09237	Humans	Predicted (SEA)	7778.77
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	7784.14
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	7784.46
Click to view 3D structure	Matrix metalloproteinase-14	P50281	Humans	Predicted (SEA)	7783.44
Click to view 3D structure	Histone-lysine N-methyltransferase 2D	O14686	Humans	Predicted (SEA)	7175.6
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	7784.07
Click to view 3D structure	Free fatty acid receptor 1	O14842	Humans	Predicted (SEA)	7779.55
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	7783.91
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Predicted (SEA)	7783.99
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	7784.46
Click to view 3D structure	Progesterone receptor	P06401	Humans	Predicted (SEA)	7784.07
Click to view 3D structure	Protein mono-ADP-ribosyltransferase PARP10	Q53GL7	Humans	Predicted (SEA)	7782.2
Click to view 3D structure	Protein mono-ADP-ribosyltransferase PARP14	Q460N5	Humans	Predicted (SEA)	7782.04
Click to view 3D structure	Receptor tyrosine-protein kinase erbB-2	P04626	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Receptor tyrosine-protein kinase erbB-4	Q15303	Humans	Predicted (SEA)	7784.61
Click to view 3D structure	Cytochrome P450 1A1	P00185	Rat	Predicted (SEA)	7255.55
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	7784.61